SCHEMBL7897693

SCHEMBL7897693

CCOc1nc2cccc(C(=O)NC(CS)CC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.53
AGTR2 P50052 3/20 0.53
CYP3A4 P08684 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADRA2B P18089 2/20 0.53
SLC6A2 P23975 2/20 0.53
PPARG P37231 2/20 0.53
HTR2B P41595 2/20 0.53
PDE3A Q14432 2/20 0.53
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRB3 P13945 1/20 0.53
TBXAS1 P24557 1/20 0.53
HTR2C P28335 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
NAE1 Q13564 4/20 0.51
MME P08473 1/20 0.47
KDM4E B2RXH2 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2126886 0.94 AGTR2 (0.54) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL2128610 0.91 AGTR2 (0.51) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL2126688 0.87 AGTR1 (0.46) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL28572886 0.85 NAE1 (0.60) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL28916001 0.85 PPARG (0.54) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL28571504 0.85 PPARG (0.53) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL28579160 0.84 AGTR2 (0.60) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL10033161 0.84 AGTR2 (0.60) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL1653406 0.84 AGTR2 (0.62) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL683298 0.84 AGTR2 (0.62) AGTR1AGTR2CYP3A4ADORA3ADRA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513432-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2013-08-20 US disclosed
US-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-09-20 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
EP-2225210-B1 Dual-acting benzoimidazole derivative and their use as antihypertensive agents THERAVANCE INC (US) 2012-04-25 EP disclosed
WO-2009076288-A1 DUAL-ACTING BENZOIMIDAZOLE DERIVATIVE AND THEIR USE AS ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-06-18 WO disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885CYP3A4 1212/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885CYP3A4 1212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.